Methyl 5-hydroxy-12-(1-hydroxyethyl)-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,9-tetraene-10-carboxylate
| Internal ID | 136f8810-0e61-4f61-a496-ae9a80be322c |
| Taxonomy | Alkaloids and derivatives > Aspidospermatan-type alkaloids |
| IUPAC Name | methyl 5-hydroxy-12-(1-hydroxyethyl)-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,9-tetraene-10-carboxylate |
| SMILES (Canonical) | CC(C12CCCN3C1C4(CC3)C5=C(C=C(C=C5)O)NC4=C(C2)C(=O)OC)O |
| SMILES (Isomeric) | CC(C12CCCN3C1C4(CC3)C5=C(C=C(C=C5)O)NC4=C(C2)C(=O)OC)O |
| InChI | InChI=1S/C21H26N2O4/c1-12(24)20-6-3-8-23-9-7-21(19(20)23)15-5-4-13(25)10-16(15)22-17(21)14(11-20)18(26)27-2/h4-5,10,12,19,22,24-25H,3,6-9,11H2,1-2H3 |
| InChI Key | FHMZPCPNSNRDQC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H26N2O4 |
| Molecular Weight | 370.40 g/mol |
| Exact Mass | 370.18925731 g/mol |
| Topological Polar Surface Area (TPSA) | 82.00 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of Methyl 5-hydroxy-12-(1-hydroxyethyl)-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,9-tetraene-10-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/b6d44150-869f-11ee-a88b-c1bd37b8b914.jpg "2D Structure of Methyl 5-hydroxy-12-(1-hydroxyethyl)-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,9-tetraene-10-carboxylate")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.56% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.67% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.77% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.41% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.75% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 95.48% | 90.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 93.70% | 90.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 92.57% | 93.03% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.33% | 98.75% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 89.12% | 91.03% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 88.44% | 85.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.45% | 95.89% |
| CHEMBL240 | Q12809 | HERG | 85.54% | 89.76% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.12% | 91.07% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.97% | 95.56% |
| CHEMBL2782 | P35610 | Acyl coenzyme A:cholesterol acyltransferase 1 | 84.26% | 91.65% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.25% | 99.15% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.28% | 97.09% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.14% | 90.24% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.87% | 91.19% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.53% | 89.62% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 81.41% | 90.93% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.85% | 100.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.81% | 97.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.79% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.09% | 99.23% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Alstonia mairei |
| PubChem | 163044783 |
| LOTUS | LTS0116617 |
| wikiData | Q104995351 |